Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 2/20 | 0.46 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.41 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7303892 | 0.95 | CTSD (0.47) | CTSDPSMB1PSMB5PSMB2CYP3A4 | |
| SCHEMBL7305087 | 0.92 | CTSD (0.48) | CTSDPSMB1PSMB5PSMB2CYP3A4 | |
| SCHEMBL7303578 | 0.87 | CTSD (0.47) | CTSDPSMB1PSMB5PSMB2CYP3A4 | |
| SCHEMBL7296811 | 0.86 | CTSD (0.39) | CTSDPSMB1PSMB5PSMB2CYP3A4 | |
| SCHEMBL7299517 | 0.85 | CYP3A4 (0.45) | CTSDCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7300431 | 0.81 | MME (0.44) | CYP2C9HDAC1HDAC2 | |
| SCHEMBL7308111 | 0.77 | CA2 (0.55) | PSMB1PSMB5PSMB2CYP3A4CYP2D6 | |
| SCHEMBL7297072 | 0.76 | CTSD (0.48) | CTSD | |
| SCHEMBL7298672 | 0.75 | CYP1A2 (0.43) | CYP2C9HDAC1HDAC2 | |
| SCHEMBL7300357 | 0.74 | HDAC1 (0.46) | HDAC1HDAC2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0575097-B1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5578608-A | HIV PROTEASE INHIBITOR | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0575097-A1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | ELI LILLY AND COMPANY (US) | 1993-12-22 | — | — | EP | disclosed |